1.0 2010-04-08 22:12:03 UTC 2019-11-26 03:12:14 UTC FDB015802 (9Z)-Valenciaxanthin Constituent of Californian Valencia orange juice. (9Z)-Valenciaxanthin is found in citrus. C27H40O3 412.6047 412.297745146 (1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11-hexaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol (1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11-hexaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C InChI=1S/C27H40O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-9,11-14,16-17,24,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14-/t24-,26+,27-/m0/s1 FTNZYJHYERPLRL-OORAVPBOSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Long-chain fatty alcohols Oxacyclic compounds Oxepanes Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Primary alcohol Secondary alcohol Sesterterpenoid logp 6.43 ALOGPS logs -5.15 ALOGPS solubility 2.95e-03 g/l ALOGPS logp 4.79 ChemAxon pka_strongest_acidic 15.14 ChemAxon pka_strongest_basic -2 ChemAxon iupac (1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11-hexaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol ChemAxon average_mass 412.6047 ChemAxon mono_mass 412.297745146 ChemAxon smiles C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ChemAxon formula C27H40O3 ChemAxon inchi InChI=1S/C27H40O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-9,11-14,16-17,24,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14-/t24-,26+,27-/m0/s1 ChemAxon inchikey FTNZYJHYERPLRL-OORAVPBOSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 132.56 ChemAxon polarizability 51.22 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 102375 Specdb::MsMs 102376 Specdb::MsMs 102377 Specdb::MsMs 168183 Specdb::MsMs 168184 Specdb::MsMs 168185 HMDB36848 #<Reference:0x000055ce3364b368> Citrus Unknown generic